PM7 Accuracy

gem-difluoroethylene   1550 gem-Difluoroethylene

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    #  Species Formula
  1540 HBF2 (Geo)HBF2
  1541 Difluoroborane (1)HBF2
  1542 Difluoromethylene (Geo)CF2
  1543 DifluoromethyleneCF2
  1544 Difluoromethyl, cationHCF2
  1545 Difluoromethane, cationCH2F2
  1546 DifluoromethaneCH2F2
  1547 DifluoromethylboraneH3BCF2
  1548 MethyldifluoroboraneH3BCF2
  1549 DifluoroacetyleneC2F2
  1550 gem-Difluoroethylene C2H2F2
  1551 CH3CF2, cationC2H3F2
  1552 1,1-DifluoroethaneC2H4F2
  1553 F2BCHCH2H3BC2F2
  1554 1,2-DifluorobenzeneC6H4F2
  1555 1,3-DifluorobenzeneC6H4F2
  1556 1,4-DifluorobenzeneC6H4F2
  1557 Phenyldifluoroborane (Geo)H5BC6F2
  1558 NF2.NF2
  1559 Difluoro nitrogen, anionNF2
  1560 Aminodifluoroborane (Geo)H2BNF2


DHf: -80.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 10.7 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
gem-Difluoroethylene
 I=10.72 IR=LLNBS82 H=-80.5 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.33836087  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.09040344  1  126.1800725  1    0.0000000  0     2     1     0
  H     1.09040344  0  126.1800725  0    0.0000000  0     1     2     3
  F     1.32606451  1  119.7480321  1  180.0000000  0     1     2     3
  F     1.32606451  0  119.7480321  0    0.0000000  0     2     1     5
 
   3  1    4
   5  1    6
   3  2    4
   5  2    6